“Modelleren van plasmas gebruikt voor de afzetting van dunne lagen”. Herrebout D, Bogaerts A, Gijbels R, Chemie magazine , 34 (2004)
Keywords: A2 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Modelling of a dielectric barrier glow discharge at atmospheric pressure in nitrogen”. Madani M, Bogaerts A, Gijbels R, Vangeneugden D, , 130 (2002)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Modelling of a direct current glow discharge: combined models for the electrons, argon ions and metastables”. Bogaerts A, Gijbels R, , 292 (1995)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Modelling of formation and transport of nanoparticles in silane discharges”. de Bleecker K, Bogaerts A, Goedheer WJ, Gijbels R, , 0 (2004)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Modelling of nanoparticle coagulation and transport dynamics in dusty silane discharges”. de Bleecker K, Bogaerts A, Goedheer W, New journal of physics 8, 178 (2006). http://doi.org/10.1088/1367-2630/8/9/178
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 20
DOI: 10.1088/1367-2630/8/9/178
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“Modelling of radio frequency capacitively coupled plasma at intermediate pressures”. Berezhnoi S, Kaganovich I, Bogaerts A, Gijbels R Kluwer Academic, Dordrecht, page 525 (1999).
Keywords: H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Moderate pressure synthesis of rare earth nickelate with metal-insulator transition using polymeric precursors”. Napierala C, Lepoittevin C, Edely M, Sauques L, Giovanelli F, Laffez P, Van Tendeloo G, Journal of solid state chemistry 183, 1663 (2010). http://doi.org/10.1016/j.jssc.2010.04.019
Abstract: Rare earth nickelates exhibit a reversible metalsemiconductor phase transition that is, in the infrared range, responsible for a thermo-optical contrast. The state of the art synthesis of these compounds usually requires high oxygen pressure to stabilize Ni in the oxidation state 3+. In this work, using polymeric precursor associated with moderate pressure annealing, we show that it is possible to obtain fully oxidized rare earth nickelate with metalinsulator transition. Using thermogravimetric analysis, X-ray diffraction and transmission electronic microscopy we compare different samples synthesized at different oxygen pressures and demonstrate their structural similarity. Thermo-optical properties were measured, in the infrared range, using reflectance measurements and confirmed the metalinsulator transition at 60 °C in both samples.TEM observations lead to the conclusion that the structure commonly obtained at 175 bar is perfectly observed in the 20 bar sample without major structural defects. The two samples exhibit a thermochromic behavior and thermo-optical properties of the two samples are equivalent.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 3
DOI: 10.1016/j.jssc.2010.04.019
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“Modern developments and applications in microbeam analysis: proceedings of the 10th Workshop of the European Microbeam Analysis Society (EMAS), Antwerp, Belgium, May 6-10, 2007”. Van 't dack L, Gijbels R, Walker CT, Microchimica acta 161, 285 (2008). http://doi.org/10.1007/s00604-008-0958-5
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.58
Times cited: 1
DOI: 10.1007/s00604-008-0958-5
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“Modification of the 2D electronic properties in Si-δ-doped InSb due to surface effects”. de Keyser A, Bogaerts R, van Bockstal L, Herlach F, Karavolas VC, Peeters FM, van de Graaf W, Borghs G, , 383 (1997)
Keywords: P3 Proceeding; Condensed Matter Theory (CMT)
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“Modification of the multislice method for calculating coherent STEM images”. Chen JH, van Dyck D, op de Beeck M, Broeckx J, van Landuyt J, Physica status solidi: A: applied research 150, 13 (1995). http://doi.org/10.1002/pssa.2211500103
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Times cited: 5
DOI: 10.1002/pssa.2211500103
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“Modified chitosan coated mesoporous strontium hydroxyapatite nanorods as drug carriers”. Filippousi M, Siafaka PI, Amanatiadou EP, Nanaki SG, Nerantzaki M, Bikiaris DN, Vizirianakis IS, Van Tendeloo G, Journal of materials chemistry B : materials for biology and medicine 3, 5991 (2015). http://doi.org/10.1039/c5tb00827a
Abstract: Mesoporous strontium hydroxyapatite (SrHAp) nanorods (NRs) have been successfully synthesized using a simple and efficient chemical route, i.e. the hydrothermal method. Structural and morphological characterization of the as-synthesized SrHAp NRs have been performed by transmission electron microscopy (TEM) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). TEM and HAADF-STEM measurements of the NRs reveal the coexistence of longer and shorter particles with the length ranging from 50 nm to 400 nm and a diameter of about 20-40 nm. Electron tomography measurements of the NRs allow us to better visualize the mesopores and their facets. Two model drugs, hydrophobic risperidone and hydrophilic pramipexole, were loaded into the SrHAp NRs. These nanorods were coated using a modified chitosan (CS) with poly(2-hydroxyethyl methacrylate) (PHEMA), in order to encapsulate the drug-loaded SrHAp nanoparticles and reduce the cytotoxicity of the loaded materials. The drug release from neat and encapsulated SrHAp NRs mainly depends on the drug hydrophilicity. Importantly, although neat SrHAp nanorods exhibit some cytotoxicity against Caco-2 cells, the Cs-g-PHEMA-SrHAp drug-loaded nanorods show an acceptable cytocompatibility.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.543
Times cited: 24
DOI: 10.1039/c5tb00827a
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Batuk D (2014) Modular structures with lone electron pair cations. Antwerpen
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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“Modulated formation of MOF-5 nanoparticles : a SANS analysis”. Nayuk R, Zacher D, Schweins R, Wiktor C, Fischer RA, Van Tendeloo G, Huber K, The journal of physical chemistry: C : nanomaterials and interfaces 116, 6127 (2012). http://doi.org/10.1021/jp3003728
Abstract: MOF-5 nanoparticles were prepared by mixing a solution of [Zn4O(C6H5COO)(6)] with a solution of benzene-1,4-dicarboxylic acid in DMF at ambient conditions. The former species mimics as a secondary building unit (SBU), and the latter acts as linker. Mixing of the two solutions induced the formation of MOF-5 nanoparticles in dilute suspension. The applied conditions were identified as suitable for a closer investigation of the particle formation process by combined light and small angle neutron scattering (SANS). Scattering analysis revealed a significant impact of the molar ratio of the two components in the reaction mixture. Excessive use of the building unit slowed down the process. A similar effect was observed upon addition of 4n-decylbenzoic acid, which is supposed to act as a modulator. The formation mechanism leads to initial intermediates, which turn into cubelike nanoparticles with a diameter of about 60-80 nm. This initial stage is followed by an extended formation period, where nucleation proceeds over hours, leading to an increasing number of nanoparticles with the same final size of 60-80 nm.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.536
Times cited: 24
DOI: 10.1021/jp3003728
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“The modulated structure in the melilite CA2ZnGe2O7”. van Heurck C, Van Tendeloo G, Amelinckx S, Physics and chemistry of minerals 8, 441 (1992). http://doi.org/10.1007/BF00200967
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.538
Times cited: 19
DOI: 10.1007/BF00200967
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“The modulated structure of Ca.85CuO2 as studied by means of electron diffraction”. Milat O, Van Tendeloo G, Amelinckx S, Babu TGN, Greaves C, Journal of solid state chemistry 97, 405 (1992)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.133
Times cited: 15
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“Modulated structures in KAISi3O8: a study by high resolution electron microscopy and 29Si MAS-NMR spectroscopy”. Sanchez-Munoz L, Nistor L, Van Tendeloo G, Sanz J, Journal of electron microscopy 47, 17 (1998). http://doi.org/10.1093/oxfordjournals.jmicro.a023555
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.9
Times cited: 10
DOI: 10.1093/oxfordjournals.jmicro.a023555
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“Molecular beam epitaxy and microstructural study of La2-xSr1+xCu2O6+y thin films”. Verbist K, Milat O, Van Tendeloo G, Arrouy F, Williams EJ, Rossel C, Machler E, Locquet J-P, Physical review : B : condensed matter and materials physics 56, 853 (1997)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 2
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“Molecular dynamics simulation of dust clusters in plasmas”. Chen Z, Yu MY, Luo H, Physica scripta 71, 638 (2005). http://doi.org/10.1088/0031-8949/71/6/010
Abstract: Finite and infinite three-dimensional dust systems and their configurational and transport properties are investigated by Molecular Dynamics simulation. The model dust-dust interaction potential includes an attraction part. Spherical dust clusters or balls are found and their structural and transport properties studied. Qualitatively, the cluster structure agrees well with recent experimental results.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.28
Times cited: 13
DOI: 10.1088/0031-8949/71/6/010
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“Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential”. Georgieva V, Todorov IT, Bogaerts A, Chemical physics letters 485, 315 (2010). http://doi.org/10.1016/j.cplett.2009.12.067
Abstract: A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.815
Times cited: 16
DOI: 10.1016/j.cplett.2009.12.067
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“Molecular dynamics simulation of temperature effects on CF(3)(+) etching of Si surface”. Jian-Ping N, Xiao-Dan L, Cheng-Li Z, You-Min Q, Ping-Ni H, Bogaerts A, Fu-Jun G, Wuli xuebao 59, 7225 (2010)
Abstract: Molecular dynamics method was employed to investigate the effects of the reaction layer formed near the surface region on CF(3)(+) etching of Si at different temperatures. The simulation results show that the coverages of F and C are sensitive to the surface temperature. With increasing temperature, the physical etching is enhanced, while the chemical etching is weakened. It is found that with increasing surface temperature, the etching rate of Si increases. As to the etching products, the yields of SiF and SiF(2) increase with temperature, whereas the yield of SiF(3) is not sensitive to the surface temperature. And the increase of the etching yield is mainly due to the increased desorption of SiF and SiF(2). The comparison shows that the reactive layer plays an important part in the subsequeat impacting, which enhances the etching rate of Si and weakens the chemical etching intensity.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 0.624
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“Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC”. Neyts E, Bogaerts A, Gijbels R, Benedikt J, van de Sanden MCM, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 228, 315 (2005). http://doi.org/10.1016/j.nimb.2004.10.063
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 19
DOI: 10.1016/j.nimb.2004.10.063
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“Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species”. Neyts E, Bogaerts A, Gijbels R, Benedikt J, van den Sanden MCM, Diamond and related materials 13, 1873 (2004). http://doi.org/10.1016/j.diamond.2004.05.011
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.561
Times cited: 53
DOI: 10.1016/j.diamond.2004.05.011
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“Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering”. Brault P, Neyts EC, Catalysis today 256, 3 (2015). http://doi.org/10.1016/j.cattod.2015.02.004
Abstract: Magnetron sputtering is a widely used physical vapor deposition technique for deposition and formation of nanocatalyst thin films and clusters. Nevertheless, so far only few studies investigated this formation process at the fundamental level. We here review atomic scale molecular dynamics simulations aimed at elucidating the nanocatalyst growth process through magnetron sputtering. We first introduce the basic magnetron sputtering background and machinery of molecular dynamics simulations, and then describe the studies conducted in this field so far. We also present a perspective view on how the field may be developed further.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.636
Times cited: 18
DOI: 10.1016/j.cattod.2015.02.004
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“Molecular dynamics simulations of Cl+ etching on a Si(100) surface”. Gou F, Neyts E, Eckert M, Tinck S, Bogaerts A, Journal of applied physics 107, 113305 (2010). http://doi.org/10.1063/1.3361038
Abstract: Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 15
DOI: 10.1063/1.3361038
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“Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar+ ion kinetic energy”. Neyts E, Eckert M, Bogaerts A, Chemical vapor deposition 13, 312 (2007). http://doi.org/10.1002/cvde.200606551
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.333
Times cited: 14
DOI: 10.1002/cvde.200606551
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“Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films”. Eckert M, Neyts E, Bogaerts A, Chemical vapor deposition 14, 213 (2008). http://doi.org/10.1002/cvde.200706657
Abstract: The reaction behavior of species that may affect the growth of ultrananocrystal line and nanocrystalline diamond ((U)NCD) films is investigated by means of molecular dynamics simulations. Impacts of CHx (x = 0 – 4), C2Hx (x=0-6), C3Hx (x=0-2), C4Hx (x = 0 – 2), H, and H-2 on clean and hydrogenated diamond (100)2 x 1 and (111) 1 x 1 surfaces at two different substrate temperatures are simulated. We find that the different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) and (111) growth. Furthermore, predictions of which are the most important hydrocarbon species for (U)NCD growth are made.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.333
Times cited: 25
DOI: 10.1002/cvde.200706657
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“Molecular information in static SIMS for the speciation of inorganic compounds”. van Ham R, Adriaens A, van Vaeck L, Gijbels R, Adams F, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 161/163, 245 (2000). http://doi.org/10.1016/S0168-583X(99)00750-8
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 19
DOI: 10.1016/S0168-583X(99)00750-8
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“Molecular orientation and conductivity in highly oriented poly(p-phenylene vinylene)”. Briers J, Eevers W, Cos P, Geise HJ, Mertens R, Nagels P, Zhang XB, Van Tendeloo G, Herrebout W, van der Veken B, Polymer 35, 4569 (1994). http://doi.org/10.1016/0032-3861(94)90804-4
Keywords: A1 Journal article; Molecular Spectroscopy (MolSpec); Electron microscopy for materials research (EMAT)
Impact Factor: 3.562
Times cited: 16
DOI: 10.1016/0032-3861(94)90804-4
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“Molecular speciation of inorganic mixtures by Fourier transform laser microprobe mass sepctrometry”. Ignatova VA, van Vaeck L, Gijbels R, Adams F, International journal of mass spectrometry 225, 213 (2003). http://doi.org/10.1016/S1387-3806(02)01116-8
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.702
Times cited: 9
DOI: 10.1016/S1387-3806(02)01116-8
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“Molecular states of two vertically coupled systems of classical charged particles confined by a Coulomb potential”. Munarin FF, Ferreira WP, Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 76, 035336 (2007). http://doi.org/10.1103/PhysRevB.76.035336
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 3
DOI: 10.1103/PhysRevB.76.035336
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